Geometry & MOs

Info

ID:	143601
PubChem CID:	53233791
Reduced:	OF3N3H6C10 (1)
Stoich.:	AB3C3D6E10 (1)
Weight, g/mol:	423.04627
ΔH_f, kcal/mol:	-116.64
Dipole, Da:	3.28
IP(EA), eV:	-9.3(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(2,4-dichlorobenzoyl)-ethylamino]-5-(3,3-dimethylbut-1-ynyl)thiophene-2-carboxylic acid

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1F)F)NC2=NC=C(C(=O)N2)F

DOS

IR

Vibrations